(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide

C16H20FNO — CID 110406397

IUPAC(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
SMILESCc1cc(/C(=C/C(=O)NC2CC2)C(C)C)ccc1F
InChIInChI=1S/C16H20FNO/c1-10(2)14(9-16(19)18-13-5-6-13)12-4-7-15(17)11(3)8-12/h4,7-10,13H,5-6H2,1-3H3,(H,18,19)/b14-9+
InChIKeyPVAZBPJZGLSWGH-NTEUORMPSA-N
MW261.34 g/mol
LogP3.45
Rot. Bonds4

About (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide

(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide (PubChem CID 110406397) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
PubChem CID110406397
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
SMILESCc1cc(/C(=C/C(=O)NC2CC2)C(C)C)ccc1F
InChIInChI=1S/C16H20FNO/c1-10(2)14(9-16(19)18-13-5-6-13)12-4-7-15(17)11(3)8-12/h4,7-10,13H,5-6H2,1-3H3,(H,18,19)/b14-9+
InChIKeyPVAZBPJZGLSWGH-NTEUORMPSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide
CID 110406396
(E)-N-(3-acetamidopropyl)-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110630690
(E)-N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110606299
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110423505
(E)-3-(4-fluoro-3-methylphenyl)-4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pent-2-enamide
CID 110625280
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
3-(cyclopropylamino)-4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid
CID 82322744
N-cyclopropyl-5-(4-fluoro-3-methylphenyl)-5-hydroxypentanamide
CID 112510939
(E)-3-(4-fluoro-3-methylphenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 110419613
3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide (CID 110406397) is (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide is Cc1cc(/C(=C/C(=O)NC2CC2)C(C)C)ccc1F.
What is the InChIKey of (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
The InChIKey is PVAZBPJZGLSWGH-NTEUORMPSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(2)14(9-16(19)18-13-5-6-13)12-4-7-15(17)11(3)8-12/h4,7-10,13H,5-6H2,1-3H3,(H,18,19)/b14-9+.
What are the key properties of (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide?
(E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide has a molecular weight of 261.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide is sourced from PubChem (CID 110406397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).